nonyl 5-(cyclopropylcarbamoyl)-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: nonyl 5-(cyclopropylcarbamoyl)-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: nonyl 5-(cyclopropylcarbamoyl)-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 5-[(cyclopropylamino)-oxomethyl]-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid nonyl ester IUPAC Name: nonyl 5-(cyclopropylcarbamoyl)-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-(cyclopropylcarbamoyl)-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid nonyl ester Formula: C25H33N3O5 MolecularWeight: 455.54662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC(=O)C1=CNC=C(C1C2=CC=CC=C2[N+](=O)[O-])C(=O)NC3CC3

Isomeric SMILES

CCCCCCCCCOC(=O)C1=CNC=C(C1C2=CC=CC=C2[N+](=O)[O-])C(=O)NC3CC3

InChI

InChI=1S/C25H33N3O5/c1-2-3-4-5-6-7-10-15-33-25(30)21-17-26-16-20(24(29)27-18-13-14-18)23(21)19-11-8-9-12-22(19)28(31)32/h8-9,11-12,16-18,23,26H,2-7,10,13-15H2,1H3,(H,27,29)